Basic information
- Standard SMILES
c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
QFMZQPDHXULLKC-UHFFFAOYSA-N- Molecular formula
- C26H24P2
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.13532403
Overview
1,2-bis(diphenylphosphino)ethane is a tertiary phosphine and a member of diphosphanes. It has a role as an allergen.
Names & identifiers
- Preferred name
- 1,2-Bis(diphenylphosphino)ethane
- IUPAC
- 2-diphenylphosphanylethyl(diphenyl)phosphane
- English name
- 1,2-Bis(diphenylphosphino)ethane
- Molecular formula
- C26H24P2
- Molecular weight
- 398.42
Names & synonyms
1,2-Bis(diphenylphosphino)ethane1663-45-2Ethylenebis(diphenylphosphine)Bis(diphenylphosphine)ethaneBis(1,2-diphenylphosphino)ethaneNSC-76285PHOSPHINE, 1,2-ETHANEDIYLBIS[DIPHENYL-KL33QE52I4CHEBI:30669BIS(DIPHENYLPHOSPHINO)ETHANEethane-1,2-diylbis(diphenylphosphane)Phosphine, 1,2-ethanediylbis(diphenyl-
Show more names
1,2-BIS(DIPHENYLPHOSPHINE)ETHANE1,2-Bis(diphenylphos1,2-Bis(diphenylphosphanyl)ethane1,2-Bis(diphenylphosphono)ethane1,2-Bis(diphenylphosphino)ethane, Diphos98% DPPEDIPHOS OR DPPE1,2-()(DPPE) 98%
DTXSID2061858DPPE cpdRefChem:906679DTXCID8035340216-769-2DiphosMFCD000030472-diphenylphosphanylethyl(diphenyl)phosphane
Database identifiers
- CAS
1663-45-2- PubChem CID
- 74267
- DTXSID
DTXSID2061858- ChEMBL
CHEMBL68683- ChEBI
CHEBI:30669- UNII
- KL33QE52I4
- EC Number
- 216-769-2
- Nikkaji
- J126.072C
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Phosphorus Compounds
Physical DescriptionWhite to off-white crystals; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 137 · 137-142 °C (lit.)
- Boiling point
- 514.8 · 514.8±33.0 °C(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in acetone, methanol and alcoholic hydrochloric acid.
- form
- Crystalline Powder or Crystals
- color
- White to off-white
- Sensitive
- Air Sensitive
- BRN
- 761261 · 761261
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents. May be air-sensitive.
- InChI
- InChI=1S/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
- InChIKey
- QFMZQPDHXULLKC-UHFFFAOYSA-N
- SMILES
- C1C=CC=CC=1P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
- CAS DataBase Reference
- 1663 · 1663-45-2(CAS DataBase Reference)
- FDA UNII
- 33 QE52I4 · KL33QE52I4
- NIST Chemistry Reference
- 1 · Phosphine, 1,2-ethanediylbis[diphenyl-(1663-45-2)
- EPA Substance Registry System
- 1 · Phosphine, 1,2-ethanediylbis[diphenyl- (1663-45-2)
- UNSPSC Code
- 12352002 · 12352002
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335
- Precautionary statements
- 261 · P261-P271-P304+P340+P312-P403+P233-P405-P501
- target organs
- Respiratory system
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-37/39-26-36
- WGK Germany
- 3 · 3
- F
- 9 · 9
- TSCA
- TSCA listed
- HS Code
- 29310095 · 29310095
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 · STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (84.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphine, 1,2-ethanediylbis[diphenyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazards SummaryAn irritant; [Acros Organics MSDS] See Triphenylphosphine.
Hazard Classes and CategoriesSkin Irrit. 2 (84.6%)
Safety data
- F
- 9
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29310095
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H335
- Hazard Classifications
- STOT SE 3
- Precautionary statements
- P261-P271-P304+P340+P312-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphine, 1,1'-(1,2-ethanediyl)bis[1,1-diphenyl-: ACTIVE
Applications
Usessuzuki reaction
Uses1,2-Bis(diphenylphosphino)ethane is a bidendate ligand used in coordination chemistry to prepare metal complexes. It is involved in the metal-catalyzed allylic alkylation and decarboxylation of allylic esters. It is also used in 1,3-diene synthesis. Further, it is used in cycloaddition reactions and carbonylation reactions. In addition to this, it is used to prepare bis(dicyclohexylphosphino)ethane by hydrogenation.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: 1,2-bis(diphenylphosphino)ethane is a tertiary phosphine and a member of diphosphanes. It has a role as an allergen.
Related reactions
636 records
Linked notes
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